209 citations · 315 across the 6 of their papers we have counts for
6 papers
Unsupervised Machine-Learning Pipeline for Data-Driven Defect Detection and Characterisation: Application to Displacement Cascades
Samuel Del Fré, Andrée de Backer, Christophe Domain +2
Neutron irradiation produces, within a few picoseconds, displacement cascades that are sequences of atomic collisions generating point and extended defects which subsequently affec…
A collinear-spin machine learned interatomic potential for FeCrNi alloy
Lakshmi Shenoy, Christopher D. Woodgate, Julie B. Staunton +4
We have developed a new machine learned interatomic potential for the prototypical austenitic steel FeCrNi, using the Gaussian approximation potential (GAP) framework.…
Solute-point defect interactions, coupled diffusion, and radiation induced segregation in fcc nickel
E. Toijer, L. Messina, C. Domain +3
Radiation-induced segregation (RIS) of solutes in materials exposed to irradiation is a well-known problem. It affects the life-time of nuclear reactor core components by favouring…
Insights on finite size effects in Ab-initio study of CO adsorption and dissociation on Fe 110 surface
Aurab Chakrabarty, Othmane Bouhali, Normand Mousseau +2
Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps to carburization of metal. Here, we use density functional theory total energy calculations…
Sink strength calculations of dislocations and loops using OKMC
Ville Jansson, Lorenzo Malerba, Andrée De Backer +2
We calculate the sink strength of dislocations and toroidal absorbers using Object Kinetic Monte Carlo and compare with the theoretical expressions. We get good agreement for dislo…
Dislocation interaction with C in alpha-Fe: a comparison between atomic simulations and elasticity theory
Emmanuel Clouet, Sébastien Garruchet, Hoang Nguyen +2
The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the Embedded Atom Method (EAM)…